UCSF

ZINC13213175

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 5.32 -30.94 2 3 1 39 200.265 3
Lo Low (pH 4.5-6) 1.06 5.59 -79.25 3 3 2 40 201.273 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )